N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide

C13H16N2O3S — CID 103918665

IUPACN-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H16N2O3S/c1-2-10(9-16)15-19(17,18)13-7-3-6-12-11(13)5-4-8-14-12/h3-8,10,15-16H,2,9H2,1H3/t10-/m1/s1
InChIKeyRIPORAVZRGGGKU-SNVBAGLBSA-N
MW280.35 g/mol
LogP1.28
Rot. Bonds5

About N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide

N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide (PubChem CID 103918665) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
PubChem CID103918665
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H16N2O3S/c1-2-10(9-16)15-19(17,18)13-7-3-6-12-11(13)5-4-8-14-12/h3-8,10,15-16H,2,9H2,1H3/t10-/m1/s1
InChIKeyRIPORAVZRGGGKU-SNVBAGLBSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-[(3R)-1-hydroxypentan-3-yl]quinoline-5-sulfonamide
CID 97096071
5-N-[(2R)-1-hydroxybutan-2-yl]-1-N-[(2S)-1-hydroxybutan-2-yl]naphthalene-1,5-disulfonamide
CID 124680579
2-amino-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 65427796
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
CID 115701460
N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
(2S)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104934981
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide (CID 103918665) is N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide is CC[C@H](CO)NS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide?
The InChIKey is RIPORAVZRGGGKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-2-10(9-16)15-19(17,18)13-7-3-6-12-11(13)5-4-8-14-12/h3-8,10,15-16H,2,9H2,1H3/t10-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide?
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide is sourced from PubChem (CID 103918665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).